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6-(4-(4-((4-(3-Phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl)phenoxy)methyl)-benzyloxy)-phenyl)-3-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

View entire compound with spectra: 1 MS (GC)

6-(4-(4-((4-(3-Phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl)phenoxy)methyl)-benzyloxy)-phenyl)-3-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SpectraBase Compound ID Ij4WOtyMSxA
InChI InChI=1S/C40H30N8O2S2/c1-3-7-31(8-4-1)37-41-43-39-47(37)45-35(25-51-39)29-15-19-33(20-16-29)49-23-27-11-13-28(14-12-27)24-50-34-21-17-30(18-22-34)36-26-52-40-44-42-38(48(40)46-36)32-9-5-2-6-10-32/h1-22H,23-26H2
InChIKey YMLUARJSUGXUCW-UHFFFAOYSA-N
Mol Weight 718.9 g/mol
Molecular Formula C40H30N8O2S2
Exact Mass 718.193315 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H8vZP2qFV2h
Name 6-(4-(4-((4-(3-Phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl)phenoxy)methyl)-benzyloxy)-phenyl)-3-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 718.193314584 u
Formula C40H30N8O2S2
InChI InChI=1S/C40H30N8O2S2/c1-3-7-31(8-4-1)37-41-43-39-47(37)45-35(25-51-39)29-15-19-33(20-16-29)49-23-27-11-13-28(14-12-27)24-50-34-21-17-30(18-22-34)36-26-52-40-44-42-38(48(40)46-36)32-9-5-2-6-10-32/h1-22H,23-26H2
InChIKey YMLUARJSUGXUCW-UHFFFAOYSA-N
Instrument Name GCMS-QP1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2223
Molecular Weight 718.854 g/mol
Quality 7
SMILES C1(=CC=CC=C1)C1=NN=C2SCC(=NN12)C1=CC=C(C=C1)OCC1=CC=C(C=C1)COC1=CC=C(C=C1)C1=NN2C(SC1)=NN=C2C1=CC=CC=C1
SPLASH splash10-001i-9000000000-3a4d40b6fd659d661170
Source of Spectrum Y-52-1426-6a (DOI: 10.1002/jhet.2223)
Wiley ID 1902521